Showing entry for Withaferin A


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0021676
Compound NameWithaferin A
Structure
FormulaC28H38O6
InchiKeyDBRXOUCRJQVYJQ-BZMBVROXSA-N
SMILESOCC1=C(C)C[C@H](OC1=O)[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@@H]2[C@]3([C@]1(C)C(=O)C=C[C@@H]3O)O2)C
InchiInChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21-,23-,24+,26+,27-,28+/m0/s1
IUPAC
Molecular Weight470.27
Pubchem Id49864510
Chembl IdCHEMBL1221986
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
CHEMBL CHEMBL1221986
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
P07355 BXGT006609 Annexin A2 reviewed - ANXA2 Activity - - -
O96017 BXGT005415 Serine/threonine-protein kinase Chk2 reviewed Kinase CHEK2 Activity - - -
Q8BW75 BXGT017924 Amine oxidase [flavin-containing] B reviewed - Maob Activity - - -
P17066 BXGT008279 Heat shock 70 kDa protein 6 reviewed - HSPA6 FC '=' 1 -
O14757 BXGT004092 Serine/threonine-protein kinase Chk1 reviewed Kinase CHEK1 Activity - - -
P79134 BXGT011857 Annexin A6 reviewed - ANXA6 Activity - - -
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Inhibition - - -
P27361 BXGT009176 Mitogen-activated protein kinase 3 reviewed Kinase MAPK3 Inhibition - - -
P31749 BXGT009574 RAC-alpha serine/threonine-protein kinase reviewed Kinase AKT1 Inhibition - - -
Q96GD4 BXGT019667 Aurora kinase B reviewed Kinase AURKB Activity - - -
P42574 BXGT010317 Caspase-3 reviewed Enzyme CASP3 Activity - - -
P42574 BXGT010317 Caspase-3 reviewed Enzyme CASP3 FC '=' 1 -
P07355 BXGT006609 Annexin A2 reviewed - ANXA2 Inhibition - - -
P04272 BXGT006178 Annexin A2 reviewed - ANXA2 Activity - - -
O88351 BXGT005270 Inhibitor of nuclear factor kappa-B kinase subunit beta reviewed - Ikbkb Activity - - -
P30307 BXGT009421 M-phase inducer phosphatase 3 reviewed Enzyme CDC25C Activity - - -
P38532 BXGT010049 Heat shock factor protein 1 reviewed - Hsf1 Activity - - -
P13214 BXGT007889 Annexin A4 reviewed - ANXA4 Activity - - -
P31749 BXGT009574 RAC-alpha serine/threonine-protein kinase reviewed Kinase AKT1 Activity '=' 2 uM
P46193 BXGT010510 Annexin A1 reviewed - ANXA1 Activity - - -
P11142 BXGT007658 Heat shock cognate 71 kDa protein reviewed - HSPA8 Activity - - -
Q64133 BXGT016109 Amine oxidase [flavin-containing] A reviewed - Maoa Activity - - -
Q9NY65 BXGT021252 Tubulin alpha-8 chain reviewed Cellular structure TUBA8 Inhibition - - -
A6NHL2 BXGT001464 Tubulin alpha chain-like 3 reviewed - TUBAL3 Inhibition - - -
Q6PEY2 BXGT016465 Tubulin alpha-3E chain reviewed Cellular structure TUBA3E Inhibition - - -
Q9BQE3 BXGT020109 Tubulin alpha-1C chain reviewed Cellular structure TUBA1C Inhibition - - -
P68363 BXGT011594 Tubulin alpha-1B chain reviewed Cellular structure TUBA1B Inhibition - - -
Q71U36 BXGT016705 Tubulin alpha-1A chain reviewed Cellular structure TUBA1A Inhibition - - -
P68366 BXGT011595 Tubulin alpha-4A chain reviewed Cellular structure TUBA4A Inhibition - - -
P0DPH7 BXGT007527 Tubulin alpha-3C chain reviewed - TUBA3C Inhibition - - -
P06493 BXGT006445 Cyclin-dependent kinase 1 reviewed Kinase CDK1 Activity - - -
P81287 BXGT011941 Annexin A5 reviewed - ANXA5 Activity - - -
P30291 BXGT009417 Wee1-like protein kinase reviewed Kinase WEE1 Activity - - -
P14635 BXGT008031 G2/mitotic-specific cyclin-B1 reviewed Enzyme modulator CCNB1 Activity - - -
P06493 BXGT006445 Cyclin-dependent kinase 1 reviewed Kinase CDK1 Activity - - -
P17066 BXGT008279 Heat shock 70 kDa protein 6 reviewed - HSPA6 Activity - - -
P08151 BXGT006731 Zinc finger protein GLI1 reviewed - GLI1 Inhibition - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01920 Physalis longifolia Physalis longifolia Others
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease